SCHEMBL6728996

SCHEMBL6728996

NS(=O)(=O)c1ccc(-c2c(-c3cc(Br)cc(Br)c3)noc2C(F)(F)F)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.46
PTGS1 P23219 6/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR4 Q5NUL3 1/20 0.37
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
KIF11 P52732 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6722957 0.93 PTGS2 (0.50) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6722747 0.90 PTGS2 (0.46) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6729359 0.89 PTGS2 (0.46) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6722930 0.89 PTGS2 (0.54) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6721417 0.89 PTGS2 (0.50) PTGS2PTGS1ESR1ESR2F2
SCHEMBL6723661 0.88 PTGS2 (0.46) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6726040 0.87 PTGS2 (0.48) PTGS2PTGS1ESR1ESR2F2
SCHEMBL6722713 0.87 PTGS2 (0.60) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6721592 0.87 PTGS2 (0.48) PTGS2PTGS1ESR1ESR2FFAR4
SCHEMBL6718530 0.86 PTGS2 (0.59) PTGS2PTGS1ESR1ESR2FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 US disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885PTGS1 4/4885ESR1 1770/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885PTGS1 4/4885ESR1 1900/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.